N-(5-methylhexan-2-yl)-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(5-methylhexan-2-yl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,4-dimethylpentyl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(5-methylhexan-2-yl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-methylhexan-2-yl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,4-dimethylpentyl)-5-nitro-2-pyrrolidino-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CC(C)CCC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C18H27N3O3/c1-13(2)6-7-14(3)19-18(22)16-12-15(21(23)24)8-9-17(16)20-10-4-5-11-20/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,19,22)